[Bug 1631981] Review Request: gau2grid - Fast computation of a gaussian function and its derivative on a grid

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https://bugzilla.redhat.com/show_bug.cgi?id=1631981



--- Comment #3 from Robert-André Mauchin <zebob.m@xxxxxxxxx> ---
 - Add %make_build after %cmake

%build
mkdir objdir
cd objdir
%cmake .. -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian
-DCMAKE_INSTALL_LIBDIR=%{_lib}
%make_build

 - make -C objdir install DESTDIR=%{buildroot} → %make_install -C objdir

 - Build fails:

[ 14%] Generating gau2grid.h, gau2grid_phi.c, gau2grid_deriv1.c,
gau2grid_deriv2.c, gau2grid_spherical.c, gau2grid_helper.c
/usr/bin/python3.7 -c "import sys;                                     
sys.path.append('/builddir/build/BUILD/gau2grid-1.2.0');                       
              import gau2grid as gg;                                     
gg.c_gen.generate_c_gau2grid(8,
path='/builddir/build/BUILD/gau2grid-1.2.0/objdir', cartesian_order='row',
spherical_order='gaussian')"
make[2]: Leaving directory '/builddir/build/BUILD/gau2grid-1.2.0/objdir'
BUILDSTDERR: Traceback (most recent call last):
BUILDSTDERR:   File "<string>", line 1, in <module>
BUILDSTDERR:   File
"/builddir/build/BUILD/gau2grid-1.2.0/gau2grid/__init__.py", line 5, in
<module>
BUILDSTDERR:     from . import RSH
BUILDSTDERR:   File "/builddir/build/BUILD/gau2grid-1.2.0/gau2grid/RSH.py",
line 7, in <module>
BUILDSTDERR:     import numpy as np
BUILDSTDERR: ModuleNotFoundError: No module named 'numpy'

   Add:

BuildRequires:  python3-numpy

 - I've proposed a PR to add library versioning:
https://github.com/dgasmith/gau2grid/pull/23

Patch0:        
https://github.com/dgasmith/gau2grid/pull/23.patch#/0001-Add-SONAME-version-to-the-library.patch


   And:

%files
%license LICENSE
%doc README.md
%{_libdir}/libgg.so.1*

%files devel
%{_includedir}/gau2grid/ 
%{_datadir}/cmake/gau2grid/
%{_libdir}/libgg.so


 - ***In the next release***, you should not forget to build the docs with
sphinx and install them in the devel package:

BuildRequires:  python3-sphinx
BuildRequires:  python3-sphinx_rtd_theme

   And in %build:

make -C docs html
rm -rf docs/build/html/.{doctrees,buildinfo}

   Then

%files devel
%doc docs/build/html

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